UNT Scholarly Works - 120 Matching Results

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Primary view of An Exploratory Flow Reactor Study of Hydrogen Sulfide Oxidation at 30–100 Bar
Song, Yu; Hashemi, Hamid; Christensen, Jakob Munkholt; Zou, Chun; Haynes, Brian S.; Marshall, Paul et al.
November 9, 2016
Primary view of Experimental and Kinetic Modeling Study of Acetylene Oxidation at High Pressure
Lopez, Jorge Gimenez; Rasmussen, Christian Lund; Hashemi, Hamid; Alzueta, María U.; Gao, Yide; Marshall, Paul et al.
August 29, 2016
Primary view of Polarizable ab initio QM/MM Study of the Reaction Mechanism of N-tert-Butyloxycarbonylation of Aniline in [EMIm][BF4]
Vázquez-Montelongo, Erik Antonio; Vázquez-Cervantes, José Enrique & Cisneros, Gerardo Andrés
October 31, 2018
Primary view of The Spin-Forbidden Reaction of Ground State Sulfur Atoms with Ethylene
Thompson, Kristopher; Gao, Yide & Marshall, Paul
January 25, 2016
Primary view of What Can We Learn about Dispersion from the Conformer Surface of n-Pentane?
Martin, Jan M. L.
March 1, 2013
Primary view of Toward Accurate Theoretical Thermochemistry of First Row Transition Metal Complexes
Jiang, Wanyi; DeYonker, Nathan J. & Wilson, Angela K.
November 22, 2011
Primary view of The Melatonin Conformer Space: Benchmark and Assessment of Wave Function and DFT Methods for a Paradigmatic Biological and Pharmacological Molecule
Fogueri, Uma R.; Kozuch, Sebastian; Karton, Amir & Martin, Jan M. L.
February 4, 2013
Primary view of A Neoteric Neodymium Model: Ground and Excited Electronic State Analysis of NdF²⁺
Schoendorff, George; South, Christopher & Wilson, Angela K.
September 19, 2013
Primary view of Halogen Bonds: Benchmarks and Theoretical Analysis
Kozuch, Sebastian & Martin, Jan M. L.
March 1, 2013
Primary view of Toward Greener Carbon Capture Technologies: A Pharmacophore-Based Approach to Predict CO₂ Binding Sites in Proteins
Drummond, Michael L.; Wilson, Angela K. & Cundari, Thomas R., 1964-
December 4, 2009
Primary view of Toward a More Rational Design of the Direct Synthesis of Aniline: A Density Functional Theory Study
Alsunaidi, Zainab H. A.; Cundari, Thomas R., 1964- & Wilson, Angela K.
July 7, 2017
Primary view of Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand
Mindiola, Daniel J.; Waterman, Rory; Iluc, Vlad M.; Cundari, Thomas R., 1964- & Hillhouse, Gregory L.
December 1, 2014
Primary view of Pseudopotential-Based Correlation Consistent Composite Approach (rp-ccCA) for First- and Second-Row Transition Metal Thermochemistry
Manivasagam, Sindhu; Laury, Marie L. & Wilson, Angela K.
May 22, 2015
Primary view of Multireference Character for 4D Transition Metal-Containing Molecules
Wang, Jiaqi; Manivasagam, Sivabalan & Wilson, Angela K.
October 14, 2015
Primary view of Negative ion photoelectron spectroscopy confirms the prediction that D₃ₕ carbon trioxide (CO₃) has a singlet ground state
Hrovat, David A.; Hou, Gao-Lei; Chen, Bo; Wang, Xue-Bin & Borden, Weston T.
November 2, 2015
Primary view of Negative Ion Photoelectron Spectroscopy of P₂N₃⁻: Electron Affinity and Electronic Structures of P₂N₃˙
Hou, Gao-Lei; Chen, Bo; Transue, Wesley J.; Hrovat, David A.; Cummins, Christopher C.; Borden, Weston T. et al.
April 5, 2016
Primary view of Experimental and Computational Studies of the Kinetics of the Reaction of Atomic Hydrogen with Methanethiol
Kerr, Katherine E.; Alecu, I. M.; Thompson, Kristopher; Gao, Yide & Marshall, Paul
April 14, 2015
Primary view of Temperature and Pressure Dependence of the Reaction S + CS (+M) → CS2 (+M)
Glarborg, Peter; Marshall, Paul & Troe, Jürgen
January 27, 2015
Primary view of Glyoxal Oxidation Mechanism: Implications for the Reactions HCO + O2 and OCHCHO + HO2
Faßheber, Nancy; Friedrichs, Gernot; Marshall, Paul & Glarborg, Peter
January 22, 2015
Primary view of An Experimental and Theoretical Study of the Reaction Between NH(X3Σ-) + SO(X3Σ-)
Blitz, Mark A.; Shannon, Robin J.; Marshall, Paul & Pilling, Michael J.
August 3, 2010
Primary view of Atmospheric chemistry of isopropyl formate and tert-butyl formate
Pimentel, Andre Silva; Tyndall, Geoffrey S. (Geoffrey Stuart) 1955-; Orlando, John J.; Hurley, Michale D.; Wallington, Timothy J.; Sulbaek Andersen, Mads Peter et al.
June 9, 2010
Primary view of Rate constant for the reaction C₂H₅ + HBr → C₂H₆ + Br
Golden, David M.; Peng, Jingping; Goumri, Abdellatif; Yuan, Jessie & Marshall, Paul
January 23, 2012
Primary view of Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation
Gao, Yide; DeYonker, Nathan J.; Garrett, E. Chauncey; Wilson, Angela K.; Cundari, Thomas R., 1964- & Marshall, Paul
June 2, 2009
Primary view of Reactions of SO₃ with the O/H Radical Pool under Combustion Conditions
Hindiyarti, Lusi; Glarborg, Peter & Marshall, Paul
March 9, 2007
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